>compound Eriodictyol_Eriodictyol
#instrument UPLC Q-Tof Premier, Waters
>formula C15H12O6
#smiles Oc(c3)c(O)cc(c3)[C@H](C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
#RECORD LC-ESI-QTOF_train_data/PR100226.txt;LC-ESI-QTOF_train_data/PR100639.txt
>charge 1
>ionization [M+H]+
>parentmass 289.07119

>collision 5-60
68.9989 65.45
89.0402 239.8
117.0356 187.6
123.046 67.17
135.0459 181.5
145.0307 191.2
153.02 1294.0
163.0411 693.7
179.0362 78.81
289.0712 985.2

>collision 5-60
65.005 309.9
107.0147 634.8
134.0383 451.4
135.0453 4638.0
151.0033 2830.0
287.0556 845.4

